N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide

C18H21FN4O2 — CID 135119010

IUPACN-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide
SMILESCn1ccnc1C(NC(=O)CCNC(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C18H21FN4O2/c1-23-11-10-20-17(23)16(12-6-7-12)22-15(24)8-9-21-18(25)13-4-2-3-5-14(13)19/h2-5,10-12,16H,6-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyGODQVSYDRONWBI-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.95
Rot. Bonds7

About N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide

N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide (PubChem CID 135119010) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide
PubChem CID135119010
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide
SMILESCn1ccnc1C(NC(=O)CCNC(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C18H21FN4O2/c1-23-11-10-20-17(23)16(12-6-7-12)22-15(24)8-9-21-18(25)13-4-2-3-5-14(13)19/h2-5,10-12,16H,6-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyGODQVSYDRONWBI-UHFFFAOYSA-N
XLogP1.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 122565816
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 122566824
3-(1,3-benzodioxol-5-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]propanamide
CID 91781119
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 92635227
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]propanamide
CID 118793072
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
CID 129351793

Frequently Asked Questions

What is the IUPAC name of N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide (CID 135119010) is N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide is Cn1ccnc1C(NC(=O)CCNC(=O)c1ccccc1F)C1CC1.
What is the InChIKey of N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide?
The InChIKey is GODQVSYDRONWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-23-11-10-20-17(23)16(12-6-7-12)22-15(24)8-9-21-18(25)13-4-2-3-5-14(13)19/h2-5,10-12,16H,6-9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide?
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide has a molecular weight of 344.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide is sourced from PubChem (CID 135119010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).